DR2077 -OEChem-05042003562D 57 58 0 1 0 0 0 0 0999 V2000 6.8909 -2.2199 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 -2.9244 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.0298 0.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -1.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 0.5536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -1.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 -2.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -3.0290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 1.8324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 -1.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -2.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -3.9189 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3687 -1.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 1.8324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6378 -4.3334 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0868 3.3324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.8324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -0.7064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 0.2446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 -0.7064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 0.8324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 -1.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0501 -3.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 2.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 2.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2256 -5.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4469 -3.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8288 -4.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0555 -3.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 3.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 3.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 -0.6094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 -0.1938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 -0.6094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 1.1139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -1.7872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -2.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -2.0818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6073 -3.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8792 -2.9284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 2.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7240 -5.5068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5900 -5.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7272 -4.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8113 -4.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9484 -3.3812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0824 -3.2440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4644 -4.4196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3272 -5.2856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1932 -5.4228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4983 -3.9007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2264 -4.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 3.6424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 -1.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6839 5.1424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7578 5.1424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 18 4 1 1 0 0 0 4 38 1 0 0 0 0 19 5 1 1 0 0 0 5 39 1 0 0 0 0 6 22 1 0 0 0 0 7 29 1 0 0 0 0 9 25 2 0 0 0 0 10 55 1 0 0 0 0 21 14 1 6 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 23 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 25 1 0 0 0 0 16 31 2 0 0 0 0 17 31 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 6 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 29 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 30 2 0 0 0 0 24 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 M CHG 2 12 -1 15 1 M END $$$$